SCHEMBL7929682

SCHEMBL7929682

CNc1ncncc1-c1ccc2c(c1)CC1(COC(N)=N1)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.42
CYP1A2 P05177 8/20 0.39
CLK4 Q9HAZ1 8/20 0.39
CYP3A4 P08684 7/20 0.39
CYP2D6 P10635 7/20 0.39
CYP2C19 P33261 7/20 0.39
TSHR P16473 6/20 0.39
LMNA P02545 4/20 0.38
MAPK1 P28482 4/20 0.38
HSD17B10 Q99714 6/20 0.37
ALOX15 P16050 4/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP2C9 P11712 4/20 0.37
CTSD P07339 2/20 0.37
USP2 O75604 2/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7924077 0.86 BACE1 (0.41) BACE1CYP1A2CLK4CYP3A4CYP2D6
SCHEMBL7924521 0.86 BACE1 (0.41) BACE1CYP1A2CLK4CYP3A4CYP2D6
SCHEMBL7926456 0.86 BACE1 (0.41) BACE1CYP1A2CLK4CYP3A4CYP2D6
SCHEMBL7926329 0.80 BACE1 (0.56) BACE1CTSDKCNH2
SCHEMBL7928885 0.79 BACE1 (0.42) BACE1CTSD
SCHEMBL7929571 0.76 BACE1 (0.46) BACE1CTSDKCNH2
SCHEMBL12203445 0.75 CYP3A4 (0.36) BACE1CYP1A2CLK4CYP3A4CYP2D6
SCHEMBL12203501 0.75 CYP3A4 (0.36) BACE1CYP1A2CLK4CYP3A4CYP2D6
SCHEMBL7920322 0.74 BACE1 (0.52) BACE1CTSDKCNH2
SCHEMBL7932272 0.73 BACE1 (0.37) BACE1CYP3A4CYP2C19CTSD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2013-08-29 US disclosed
US-8476274-B2 Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-8476274-B2 Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP (US) 2013-02-21 US disclosed
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP (US) 2013-02-21 US disclosed
US-8324213-B2 Biaryl-spiroaminooxazoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2012-12-04 US disclosed
US-8324213-B2 Biaryl-spiroaminooxazoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2012-12-04 US disclosed
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-10-13 US disclosed
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-10-13 US disclosed
WO-2010042473-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A BACE1 2333/4885CYP1A2 82/4885CLK4 1040/4885
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A BACE1 2516/4885CYP1A2 114/4885CLK4 869/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 BACE1 2209/4885CYP1A2 163/4885CLK4 824/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.